
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 95_A        4.89    31.76
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 96_A        4.88    31.57
  LCS_AVERAGE:     51.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65      12_A - 76_A        1.98    32.36
  LONGEST_CONTINUOUS_SEGMENT:    65      13_A - 77_A        1.97    32.31
  LONGEST_CONTINUOUS_SEGMENT:    65      14_A - 78_A        1.97    32.40
  LONGEST_CONTINUOUS_SEGMENT:    65      15_A - 79_A        1.97    32.44
  LONGEST_CONTINUOUS_SEGMENT:    65      16_A - 80_A        2.00    32.43
  LCS_AVERAGE:     29.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_A - 43_A        1.00    32.08
  LONGEST_CONTINUOUS_SEGMENT:    34      11_A - 44_A        0.92    32.08
  LONGEST_CONTINUOUS_SEGMENT:    34      12_A - 45_A        0.92    32.03
  LCS_AVERAGE:     11.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      3    5   93      3    3    3    3    5    7   10   14   23   31   36   42   51   54   66   79   84   85   90   90 
LCS_GDT     S     2_A     S     2_A      4    5   94      3    4    4    4    5    6   10   13   19   24   33   45   57   64   73   79   83   87   91   91 
LCS_GDT     R     3_A     R     3_A      4   35   94      3    4    4    4    8   27   41   45   49   56   61   68   75   80   84   86   87   89   91   91 
LCS_GDT     I     4_A     I     4_A     16   41   94      3   10   18   25   31   40   47   53   58   67   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     D     5_A     D     5_A     16   41   94      5   10   15   21   31   41   46   52   57   70   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E     6_A     E     6_A     16   41   94      5   12   18   28   37   41   47   53   58   70   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K     7_A     K     7_A     17   43   94      5   12   18   32   38   43   51   60   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     S     8_A     S     8_A     18   44   94      5   13   25   35   45   50   59   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     S     9_A     S     9_A     18   45   94      5   12   21   34   44   50   59   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    10_A     K    10_A     34   45   94      5   17   31   39   46   53   61   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     A    11_A     A    11_A     34   46   94      8   22   34   41   49   57   61   66   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    12_A     K    12_A     34   65   94      8   22   34   42   52   59   62   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     V    13_A     V    13_A     34   65   94      8   27   35   45   55   59   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     N    14_A     N    14_A     34   65   94     11   28   36   45   55   59   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     D    15_A     D    15_A     34   65   94     14   30   37   50   56   60   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     F    16_A     F    16_A     34   65   94      8   30   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     L    17_A     L    17_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     A    18_A     A    18_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    19_A     E    19_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     I    20_A     I    20_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     F    21_A     F    21_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    22_A     K    22_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    23_A     K    23_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     I    24_A     I    24_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     G    25_A     G    25_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    26_A     S    26_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    27_A     K    27_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    28_A     E    28_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     N    29_A     N    29_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     T    30_A     T    30_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    31_A     K    31_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    32_A     E    32_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     G    33_A     G    33_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     L    34_A     L    34_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     A    35_A     A    35_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    36_A     E    36_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     L    37_A     L    37_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     Y    38_A     Y    38_A     34   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    39_A     E    39_A     34   65   94     21   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     Y    40_A     Y    40_A     34   65   94     21   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    41_A     K    41_A     34   65   94     21   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    42_A     K    42_A     34   65   94     17   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    43_A     K    43_A     34   65   94     17   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     Y    44_A     Y    44_A     34   65   94     12   27   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    45_A     S    45_A     34   65   94      6   22   35   47   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     D    46_A     D    46_A      4   65   94      3    4    4    6   11   27   39   50   64   70   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     A    47_A     A    47_A      4   65   94      3    4    4   22   37   51   62   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     D    48_A     D    48_A     17   65   94      6   21   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     I    49_A     I    49_A     17   65   94     11   22   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    50_A     E    50_A     17   65   94     10   21   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     P    51_A     P    51_A     17   65   94      9   21   36   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     F    52_A     F    52_A     17   65   94     10   21   36   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     L    53_A     L    53_A     17   65   94     10   21   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    54_A     K    54_A     17   65   94      6   21   38   51   57   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     N    55_A     N    55_A     18   65   94      5   21   36   51   57   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    56_A     S    56_A     18   65   94      6   18   35   47   57   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    57_A     S    57_A     18   65   94      3   18   34   46   57   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     Q    58_A     Q    58_A     18   65   94      3    5   32   44   55   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     F    59_A     F    59_A     18   65   94      3    5   34   44   53   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     F    60_A     F    60_A     18   65   94      3   19   36   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     Q    61_A     Q    61_A     18   65   94     10   21   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    62_A     S    62_A     18   65   94      8   21   37   51   57   61   64   69   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     Y    63_A     Y    63_A     18   65   94      8   19   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     V    64_A     V    64_A     18   65   94     11   27   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    65_A     E    65_A     18   65   94      8   21   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     R    66_A     R    66_A     18   65   94      8   21   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     G    67_A     G    67_A     18   65   94      8   21   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     L    68_A     L    68_A     18   65   94     21   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     R    69_A     R    69_A     18   65   94     22   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     V    70_A     V    70_A     18   65   94     21   30   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     I    71_A     I    71_A     18   65   94     11   22   38   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    72_A     E    72_A     18   65   94      9   27   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     M    73_A     M    73_A     18   65   94      6   27   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    74_A     E    74_A     18   65   94      8   21   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     R    75_A     R    75_A     18   65   94      7   21   37   51   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    76_A     E    76_A     18   65   94      4   14   32   45   57   61   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     G    77_A     G    77_A     17   65   94      4   11   19   35   51   58   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     K    78_A     K    78_A      4   65   94      3   14   28   40   52   61   63   69   70   71   73   75   79   80   82   85   87   89   89   91 
LCS_GDT     G    79_A     G    79_A      4   65   94      3   16   29   40   52   61   63   69   70   71   73   75   79   80   82   84   87   89   89   91 
LCS_GDT     R    80_A     R    80_A      4   65   94      3    3    5    7   17   54   62   69   70   71   73   75   79   80   82   84   87   89   89   91 
LCS_GDT     I    81_A     I    81_A      3   53   94      3    3   16   38   50   59   64   69   70   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    82_A     S    82_A      3   35   94      3    3    4   35   50   58   62   66   70   71   73   76   79   82   85   86   87   89   91   91 
LCS_GDT     T    83_A     T    83_A      4    7   94      3    3    4    5    6    7   28   48   62   68   72   76   79   82   85   86   87   89   91   91 
LCS_GDT     S    84_A     S    84_A      4    7   94      3    3    4    5    8    8   10   13   37   49   57   69   77   81   85   86   87   89   91   91 
LCS_GDT     T    85_A     T    85_A      4    8   94      4    4    5    7    8    8   10   32   40   45   53   59   66   70   74   76   80   86   91   91 
LCS_GDT     G    86_A     G    86_A      4    8   94      4    4    5    8   19   26   33   42   49   55   56   67   70   74   79   82   87   89   91   91 
LCS_GDT     I    87_A     I    87_A      4    8   94      4    4    4    6   16   26   31   41   47   55   56   62   70   72   76   82   86   89   91   91 
LCS_GDT     S    88_A     S    88_A      4    8   94      4    4    5   16   22   32   38   43   55   58   64   70   75   79   82   86   87   89   91   91 
LCS_GDT     P    89_A     P    89_A      3    8   94      3    4    5   28   36   40   45   53   57   67   72   76   79   82   85   86   87   89   91   91 
LCS_GDT     Q    90_A     Q    90_A      3    8   94      0    4   21   31   38   41   48   54   61   68   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     M    91_A     M    91_A      3    8   94      3   12   32   39   45   50   59   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     E    92_A     E    92_A      4    8   94      7   24   34   39   45   51   60   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     V    93_A     V    93_A      4    6   94      4   18   33   39   45   51   60   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     T    94_A     T    94_A      4    6   94      4    4    6   13   33   49   57   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     C    95_A     C    95_A      4    8   94      4    4    6   13   29   49   57   66   69   71   74   76   79   82   85   86   87   89   91   91 
LCS_GDT     V    96_A     V    96_A      4    8   94      3    3    6    7    7    8    9   23   40   56   64   73   79   80   83   85   85   88   89   90 
LCS_GDT     P    97_A     P    97_A      5    8   15      3    4    6    7    7    8    9    9    9   11   17   19   44   62   76   81   83   84   86   88 
LCS_GDT     T    98_A     T    98_A      5    8   15      3    4    6    7    7    8    9    9    9   11   13   19   21   23   32   51   62   77   81   84 
LCS_GDT     P    99_A     P    99_A      5    8   15      3    4    6    7    7    8    9    9    9   11   12   14   19   22   25   28   31   36   42   71 
LCS_GDT     T   100_A     T   100_A      5    8   15      3    4    6    7    7    8    9    9    9   11   12   15   19   22   25   28   31   36   42   47 
LCS_GDT     S   101_A     S   101_A      5    8   15      3    4    6    7    7    8    9    9    9   11   12   14   18   22   24   28   30   36   42   45 
LCS_GDT     T   102_A     T   102_A      3    9   15      1    3    4    5    8    9    9   10   10   11   12   14   15   16   18   20   23   26   36   39 
LCS_GDT     V   103_A     V   103_A      4    9   15      4    4    5    6    8    9    9   10   10   12   13   13   15   15   16   17   18   19   23   26 
LCS_GDT     S   104_A     S   104_A      4    9   15      4    4    5    6    8    9    9   10   12   12   13   13   15   15   16   17   21   21   31   32 
LCS_GDT     S   105_A     S   105_A      4    9   15      4    4    5    6    8   10   10   11   12   12   13   13   15   15   17   19   23   23   26   33 
LCS_GDT     I   106_A     I   106_A      4    9   15      4    4    5    7    9   10   10   11   12   12   13   14   15   16   23   26   30   33   38   47 
LCS_GDT     G   107_A     G   107_A      6    9   27      3    5    6    7    9   10   10   11   12   12   26   28   31   35   40   41   42   45   46   47 
LCS_GDT     N   108_A     N   108_A      6    9   27      3    5    6    7    9   10   10   13   18   23   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     T   109_A     T   109_A      6    9   27      3    5    6    7    9   13   15   16   19   22   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     N   110_A     N   110_A      6    9   27      3    5    6    7    9   10   14   16   20   22   23   23   24   27   27   31   34   36   42   45 
LCS_GDT     G   111_A     G   111_A      6    9   31      3    5    6    7    9   10   10   11   14   19   22   22   23   23   27   30   31   36   42   45 
LCS_GDT     E   112_A     E   112_A      6    9   31      3    4    6    7    9   10   10   15   20   22   24   27   32   36   37   38   43   45   46   47 
LCS_GDT     E   113_A     E   113_A      4    9   31      3    4    4    6    9   13   15   18   20   24   27   29   32   36   40   41   43   45   51   56 
LCS_GDT     V   114_A     V   114_A      4   18   31      3    4    5    7   11   13   15   19   24   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     G   115_A     G   115_A     17   23   31      6   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     P   116_A     P   116_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     S   117_A     S   117_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     V   118_A     V   118_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     Y   119_A     Y   119_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     L   120_A     L   120_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     E   121_A     E   121_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     R   122_A     R   122_A     17   23   31      7   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     L   123_A     L   123_A     17   23   31      7   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     K   124_A     K   124_A     17   23   31      7   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     I   125_A     I   125_A     17   23   31      8   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     L   126_A     L   126_A     17   23   31      7   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     R   127_A     R   127_A     17   23   31      7   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     Q   128_A     Q   128_A     17   23   31      6   14   17   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     R   129_A     R   129_A     17   23   31      6   13   17   18   19   20   22   23   25   26   28   29   32   33   40   41   43   45   46   47 
LCS_GDT     C   130_A     C   130_A     17   23   31      8   13   17   18   19   20   22   23   25   26   28   29   32   33   40   41   43   45   46   47 
LCS_GDT     G   131_A     G   131_A     17   23   31      5   13   17   18   19   20   22   23   25   26   28   29   32   35   40   41   43   45   46   47 
LCS_GDT     L   132_A     L   132_A      3   23   31      3    3    4   15   18   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     D   133_A     D   133_A      3   23   31      3    3    4   18   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     N   134_A     N   134_A      3   23   31      3    6   12   18   19   20   22   23   24   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     T   135_A     T   135_A      3   23   31      3    3    5    8   19   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     K   136_A     K   136_A      3   23   31      3    3    4    5    8   20   22   23   25   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     Q   137_A     Q   137_A      3   23   31      3    3    4    5    8   10   22   23   24   26   28   29   32   36   40   41   43   45   46   47 
LCS_GDT     D   138_A     D   138_A      3    6   31      3    3    4    5    6    7   11   12   15   24   27   29   32   36   40   41   43   45   46   47 
LCS_GDT     D   139_A     D   139_A      3    4   31      3    3    4    5    6    9   11   12   17   24   27   29   32   36   40   41   43   45   46   47 
LCS_GDT     R   140_A     R   140_A      3    4   31      3    4    5    7   12   19   21   23   24   26   28   29   32   33   40   41   43   45   46   47 
LCS_GDT     P   141_A     P   141_A      0    4   31      0    2    3    4    4   13   17   18   20   24   26   28   29   31   33   36   37   40   46   47 
LCS_AVERAGE  LCS_A:  30.81  (  11.83   29.09   51.52 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     22     30     38     51     57     61     64     69     70     71     74     76     79     82     85     86     87     89     91     91 
GDT PERCENT_AT  15.60  21.28  26.95  36.17  40.43  43.26  45.39  48.94  49.65  50.35  52.48  53.90  56.03  58.16  60.28  60.99  61.70  63.12  64.54  64.54
GDT RMS_LOCAL    0.28   0.49   0.91   1.27   1.46   1.65   1.80   2.10   2.15   2.23   3.05   2.88   3.15   3.43   3.71   3.82   3.90   4.10   4.61   4.61
GDT RMS_ALL_AT  32.56  32.67  32.93  32.58  32.55  32.66  32.22  32.18  32.22  32.18  31.35  31.77  31.86  31.37  31.49  31.48  31.53  31.53  31.71  31.71

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    92_A      E    92_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    19.531     0    0.221   0.263    22.022    0.000    0.000
LGA    S     2_A      S     2_A    19.956     0    0.671   0.800    23.243    0.000    0.000
LGA    R     3_A      R     3_A    15.978     0    0.253   1.057    22.634    0.000    0.000
LGA    I     4_A      I     4_A    14.326     0    0.067   0.253    18.963    0.000    0.000
LGA    D     5_A      D     5_A    13.650     0    0.074   0.832    14.332    0.000    0.000
LGA    E     6_A      E     6_A    12.264     0    0.054   0.779    13.824    0.000    0.000
LGA    K     7_A      K     7_A    10.847     0    0.035   0.235    15.832    0.833    0.370
LGA    S     8_A      S     8_A     8.908     0    0.007   0.018    10.138    4.524    3.254
LGA    S     9_A      S     9_A     8.298     0    0.020   0.775     9.769    8.690    6.111
LGA    K    10_A      K    10_A     6.701     0    0.101   1.039    13.989   15.476    8.042
LGA    A    11_A      A    11_A     5.629     0    0.036   0.048     6.151   26.786   25.714
LGA    K    12_A      K    12_A     4.390     0    0.039   0.066     6.408   37.262   29.630
LGA    V    13_A      V    13_A     3.649     0    0.033   0.698     5.104   46.905   40.340
LGA    N    14_A      N    14_A     3.364     0    0.032   0.875     5.032   51.905   43.155
LGA    D    15_A      D    15_A     2.572     0    0.014   0.996     4.608   65.000   53.631
LGA    F    16_A      F    16_A     1.482     0    0.023   0.072     1.911   81.548   76.017
LGA    L    17_A      L    17_A     1.250     0    0.030   1.379     2.972   81.429   75.238
LGA    A    18_A      A    18_A     1.803     0    0.029   0.033     2.105   72.857   71.238
LGA    E    19_A      E    19_A     1.172     0    0.046   0.824     2.858   81.429   79.894
LGA    I    20_A      I    20_A     0.822     0    0.030   0.051     1.303   85.952   88.214
LGA    F    21_A      F    21_A     1.632     0    0.024   0.101     2.246   70.952   75.281
LGA    K    22_A      K    22_A     2.235     0    0.035   0.700     4.956   64.762   55.503
LGA    K    23_A      K    23_A     1.845     0    0.028   0.626     2.086   70.833   72.910
LGA    I    24_A      I    24_A     1.669     0    0.021   0.044     2.108   70.833   77.262
LGA    G    25_A      G    25_A     2.270     0    0.128   0.128     3.177   59.167   59.167
LGA    S    26_A      S    26_A     2.446     0    0.107   0.144     2.768   64.762   62.222
LGA    K    27_A      K    27_A     2.748     0    0.040   0.844     4.525   57.143   51.958
LGA    E    28_A      E    28_A     2.605     0    0.021   1.002     5.955   60.952   45.238
LGA    N    29_A      N    29_A     1.961     0    0.075   1.076     3.941   72.976   70.298
LGA    T    30_A      T    30_A     2.293     0    0.007   0.233     3.211   64.762   61.565
LGA    K    31_A      K    31_A     2.290     0    0.020   1.117     8.892   68.810   44.444
LGA    E    32_A      E    32_A     1.318     0    0.047   1.058     4.428   79.286   65.979
LGA    G    33_A      G    33_A     0.999     0    0.006   0.006     1.133   88.214   88.214
LGA    L    34_A      L    34_A     1.003     0    0.022   0.088     1.347   85.952   83.690
LGA    A    35_A      A    35_A     0.956     0    0.023   0.037     1.161   90.476   88.667
LGA    E    36_A      E    36_A     0.791     0    0.033   0.114     1.693   90.476   83.598
LGA    L    37_A      L    37_A     0.370     0    0.029   0.099     0.536   97.619   97.619
LGA    Y    38_A      Y    38_A     0.205     0    0.023   0.194     1.077  100.000   95.278
LGA    E    39_A      E    39_A     0.531     0    0.023   0.913     3.209   92.857   81.376
LGA    Y    40_A      Y    40_A     0.457     0    0.054   0.166     1.349   97.619   92.143
LGA    K    41_A      K    41_A     0.307     0    0.026   0.875     3.910   97.619   87.672
LGA    K    42_A      K    42_A     0.578     0    0.048   0.598     2.640   90.595   88.942
LGA    K    43_A      K    43_A     1.394     0    0.059   0.895     2.638   75.119   70.370
LGA    Y    44_A      Y    44_A     1.912     0    0.310   0.394     3.450   70.833   60.595
LGA    S    45_A      S    45_A     2.139     0    0.339   0.316     3.132   61.190   66.508
LGA    D    46_A      D    46_A     5.865     0    0.592   1.255    10.899   31.786   16.548
LGA    A    47_A      A    47_A     4.437     0    0.540   0.569     5.460   45.357   41.524
LGA    D    48_A      D    48_A     1.288     0    0.583   1.228     6.074   85.952   57.738
LGA    I    49_A      I    49_A     0.586     0    0.091   0.098     1.149   88.214   91.726
LGA    E    50_A      E    50_A     1.044     0    0.050   1.269     3.667   83.690   73.651
LGA    P    51_A      P    51_A     1.645     0    0.034   0.074     1.765   75.000   74.082
LGA    F    52_A      F    52_A     1.553     0    0.012   1.529     5.544   75.000   64.935
LGA    L    53_A      L    53_A     0.999     0    0.032   1.268     3.137   83.690   75.476
LGA    K    54_A      K    54_A     0.975     0    0.025   0.995     4.101   83.810   72.434
LGA    N    55_A      N    55_A     2.184     0    0.200   0.192     2.819   66.786   62.917
LGA    S    56_A      S    56_A     2.317     0    0.093   0.659     2.656   62.857   64.841
LGA    S    57_A      S    57_A     2.632     0    0.040   0.732     4.734   59.048   54.127
LGA    Q    58_A      Q    58_A     3.300     0    0.027   1.277     9.716   50.000   30.899
LGA    F    59_A      F    59_A     3.107     0    0.013   0.049     4.769   53.571   45.541
LGA    F    60_A      F    60_A     1.374     0    0.128   0.284     1.907   79.286   81.558
LGA    Q    61_A      Q    61_A     1.165     0    0.100   0.971     5.122   81.429   63.598
LGA    S    62_A      S    62_A     1.933     0    0.045   0.064     2.343   70.833   68.810
LGA    Y    63_A      Y    63_A     1.610     0    0.050   0.194     2.878   77.143   69.683
LGA    V    64_A      V    64_A     0.342     0    0.051   1.028     2.072   92.857   87.007
LGA    E    65_A      E    65_A     1.460     0    0.033   0.961     5.984   77.143   58.360
LGA    R    66_A      R    66_A     1.884     0    0.036   1.033     5.533   72.857   61.126
LGA    G    67_A      G    67_A     1.128     0    0.087   0.087     1.290   85.952   85.952
LGA    L    68_A      L    68_A     0.311     0    0.034   0.073     0.644   92.857   94.048
LGA    R    69_A      R    69_A     1.343     0    0.027   1.280     6.812   83.690   62.554
LGA    V    70_A      V    70_A     0.969     0    0.098   1.118     3.451   92.976   82.313
LGA    I    71_A      I    71_A     0.314     0    0.042   0.662     1.998   92.976   90.714
LGA    E    72_A      E    72_A     1.543     0    0.045   0.508     3.551   77.262   67.143
LGA    M    73_A      M    73_A     1.309     0    0.020   1.017     2.026   81.429   76.190
LGA    E    74_A      E    74_A     1.089     0    0.043   0.160     1.154   81.429   85.450
LGA    R    75_A      R    75_A     1.232     0    0.052   1.067     3.691   77.143   73.290
LGA    E    76_A      E    76_A     2.299     0    0.072   0.806     4.915   59.405   52.222
LGA    G    77_A      G    77_A     3.635     0    0.403   0.403     3.635   55.714   55.714
LGA    K    78_A      K    78_A     3.678     0    0.489   1.166     9.269   51.905   26.878
LGA    G    79_A      G    79_A     3.734     0    0.533   0.533     4.062   43.452   43.452
LGA    R    80_A      R    80_A     4.401     0    0.524   1.444    13.548   40.476   16.061
LGA    I    81_A      I    81_A     3.827     0    0.520   0.864     9.400   47.381   27.262
LGA    S    82_A      S    82_A     4.590     0    0.095   0.552     7.133   40.833   32.460
LGA    T    83_A      T    83_A     7.646     0    0.561   1.189     8.746    7.024   11.905
LGA    S    84_A      S    84_A    12.921     0    0.191   0.570    15.045    0.000    0.000
LGA    T    85_A      T    85_A    19.827     0    0.606   0.609    24.693    0.000    0.000
LGA    G    86_A      G    86_A    20.016     0    0.053   0.053    21.601    0.000    0.000
LGA    I    87_A      I    87_A    21.835     0    0.044   1.315    26.834    0.000    0.000
LGA    S    88_A      S    88_A    20.291     0    0.048   0.128    21.584    0.000    0.000
LGA    P    89_A      P    89_A    18.398     0    0.053   0.382    19.241    0.000    0.000
LGA    Q    90_A      Q    90_A    18.363     0    0.137   1.214    24.724    0.000    0.000
LGA    M    91_A      M    91_A    13.885     0    0.530   0.449    15.773    0.000    0.000
LGA    E    92_A      E    92_A    12.951     0    0.456   0.706    15.839    0.000    0.000
LGA    V    93_A      V    93_A    13.592     0    0.124   0.967    16.100    0.000    0.000
LGA    T    94_A      T    94_A    16.323     0    0.218   1.134    19.106    0.000    0.000
LGA    C    95_A      C    95_A    16.989     0    0.592   0.983    17.632    0.000    0.000
LGA    V    96_A      V    96_A    20.020     0    0.226   1.181    24.219    0.000    0.000
LGA    P    97_A      P    97_A    19.865     0    0.108   0.381    22.270    0.000    0.000
LGA    T    98_A      T    98_A    24.008     0    0.139   0.383    25.004    0.000    0.000
LGA    P    99_A      P    99_A    28.205     0    0.021   0.171    31.217    0.000    0.000
LGA    T   100_A      T   100_A    31.461     0    0.239   1.169    33.024    0.000    0.000
LGA    S   101_A      S   101_A    37.306     0    0.609   0.721    40.147    0.000    0.000
LGA    T   102_A      T   102_A    36.373     0    0.588   0.907    37.739    0.000    0.000
LGA    V   103_A      V   103_A    35.193     0    0.608   1.425    35.933    0.000    0.000
LGA    S   104_A      S   104_A    36.629     0    0.178   0.698    38.636    0.000    0.000
LGA    S   105_A      S   105_A    39.989     0    0.236   0.253    40.266    0.000    0.000
LGA    I   106_A      I   106_A    42.961     0    0.157   0.157    48.853    0.000    0.000
LGA    G   107_A      G   107_A    40.767     0    0.045   0.045    41.845    0.000    0.000
LGA    N   108_A      N   108_A    44.466     0    0.158   0.608    48.846    0.000    0.000
LGA    T   109_A      T   109_A    42.174     0    0.228   0.325    42.941    0.000    0.000
LGA    N   110_A      N   110_A    43.207     0    0.082   0.159    46.767    0.000    0.000
LGA    G   111_A      G   111_A    40.049     0    0.104   0.104    41.240    0.000    0.000
LGA    E   112_A      E   112_A    36.352     0    0.321   1.068    39.538    0.000    0.000
LGA    E   113_A      E   113_A    32.294     0    0.397   0.946    33.787    0.000    0.000
LGA    V   114_A      V   114_A    35.495     0    0.087   1.009    39.542    0.000    0.000
LGA    G   115_A      G   115_A    33.336     0    0.587   0.587    36.361    0.000    0.000
LGA    P   116_A      P   116_A    37.582     0    0.042   0.064    41.057    0.000    0.000
LGA    S   117_A      S   117_A    42.561     0    0.035   0.106    44.724    0.000    0.000
LGA    V   118_A      V   118_A    41.453     0    0.069   0.943    43.380    0.000    0.000
LGA    Y   119_A      Y   119_A    40.904     0    0.013   1.372    44.573    0.000    0.000
LGA    L   120_A      L   120_A    46.748     0    0.017   0.065    50.200    0.000    0.000
LGA    E   121_A      E   121_A    49.818     0    0.038   0.947    51.646    0.000    0.000
LGA    R   122_A      R   122_A    47.488     0    0.016   1.111    49.655    0.000    0.000
LGA    L   123_A      L   123_A    48.279     0    0.015   0.165    52.180    0.000    0.000
LGA    K   124_A      K   124_A    55.051     0    0.043   0.938    63.445    0.000    0.000
LGA    I   125_A      I   125_A    56.420     0    0.004   0.057    57.864    0.000    0.000
LGA    L   126_A      L   126_A    53.455     0    0.052   1.400    56.340    0.000    0.000
LGA    R   127_A      R   127_A    56.964     0    0.044   0.964    61.178    0.000    0.000
LGA    Q   128_A      Q   128_A    63.470     0    0.048   0.851    66.171    0.000    0.000
LGA    R   129_A      R   129_A    62.849     0    0.085   1.080    64.650    0.000    0.000
LGA    C   130_A      C   130_A    61.661     0    0.194   0.181    64.371    0.000    0.000
LGA    G   131_A      G   131_A    67.520     0    0.660   0.660    67.520    0.000    0.000
LGA    L   132_A      L   132_A    66.917     0    0.606   1.141    67.516    0.000    0.000
LGA    D   133_A      D   133_A    68.531     0    0.314   1.207    72.206    0.000    0.000
LGA    N   134_A      N   134_A    72.331     0    0.471   1.248    74.639    0.000    0.000
LGA    T   135_A      T   135_A    76.226     0    0.507   1.125    79.171    0.000    0.000
LGA    K   136_A      K   136_A    83.206     0    0.434   1.134    88.546    0.000    0.000
LGA    Q   137_A      Q   137_A    86.880     0    0.265   0.384    90.619    0.000    0.000
LGA    D   138_A      D   138_A    89.474     0    0.516   0.589    91.453    0.000    0.000
LGA    D   139_A      D   139_A    95.580     0    0.084   0.953    99.577    0.000    0.000
LGA    R   140_A      R   140_A    96.477     0    0.431   1.618   102.592    0.000    0.000
LGA    P   141_A      P   141_A    94.150     0    0.202   0.484    96.637    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    23.145         23.021                 23.618           36.969   33.529

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    2.10    41.844    39.837     3.140

LGA_LOCAL      RMSD:   2.098  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.180  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  23.145  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.395430 * X  +  -0.620566 * Y  +   0.677150 * Z  +  -3.257967
  Y_new =  -0.462041 * X  +  -0.771563 * Y  +  -0.437275 * Z  +  -6.244213
  Z_new =   0.793822 * X  +  -0.139959 * Y  +  -0.591826 * Z  +   0.294415 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.862925 -0.917068 -2.909372   [DEG:  -49.4420  -52.5441 -166.6947 ]
ZXZ:  0.997409  2.204119  1.745313   [DEG:   57.1473  126.2867   99.9991 ]
 
# END of job
